2-(3-formyl-1H-indol-2-yl)acetic acid

C11H9NO3 — CID 14636516

IUPAC2-(3-formyl-1H-indol-2-yl)acetic acid
SMILESO=Cc1c(CC(=O)O)[nH]c2ccccc12
InChIInChI=1S/C11H9NO3/c13-6-8-7-3-1-2-4-9(7)12-10(8)5-11(14)15/h1-4,6,12H,5H2,(H,14,15)
InChIKeyDONJRFWEOQICHX-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.61
Rot. Bonds3

About 2-(3-formyl-1H-indol-2-yl)acetic acid

2-(3-formyl-1H-indol-2-yl)acetic acid (PubChem CID 14636516) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 2-(3-formyl-1H-indol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(3-formyl-1H-indol-2-yl)acetic acid
PubChem CID14636516
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name2-(3-formyl-1H-indol-2-yl)acetic acid
SMILESO=Cc1c(CC(=O)O)[nH]c2ccccc12
InChIInChI=1S/C11H9NO3/c13-6-8-7-3-1-2-4-9(7)12-10(8)5-11(14)15/h1-4,6,12H,5H2,(H,14,15)
InChIKeyDONJRFWEOQICHX-UHFFFAOYSA-N
XLogP1.61
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-[2-(4-nitrophenyl)-2-oxoethyl]-1H-indole-3-carbaldehyde
CID 135086486
2-(3-methoxypropyl)-1H-indole-3-carbaldehyde
CID 87256999
2-(3-formyl-1H-indol-2-yl)butanoic acid
CID 139949570
2-(2-fluoro-1H-indol-3-yl)acetic acid
CID 22642493
2-(1-methyl-9H-carbazol-2-yl)acetic acid
CID 54249777
2-(2-iodo-1H-indol-3-yl)acetic acid
CID 22642492
9H-carbazole;propanoic acid
CID 68841226
9H-carbazole;carbonic acid
CID 67577328
ethane;methyl 3-formyl-1H-indole-2-carboxylate
CID 143494583
9H-carbazole;2-(4-fluorophenyl)acetic acid
CID 175926186
2-[4-(2-methyl-1H-indol-3-yl)-1H-imidazol-5-yl]acetic acid
CID 82299158
2-(2-propan-2-yl-1H-indol-3-yl)acetic acid
CID 70573715

Frequently Asked Questions

What is the IUPAC name of 2-(3-formyl-1H-indol-2-yl)acetic acid?
The IUPAC name of 2-(3-formyl-1H-indol-2-yl)acetic acid (CID 14636516) is 2-(3-formyl-1H-indol-2-yl)acetic acid.
What is the SMILES notation for 2-(3-formyl-1H-indol-2-yl)acetic acid?
The canonical SMILES for 2-(3-formyl-1H-indol-2-yl)acetic acid is O=Cc1c(CC(=O)O)[nH]c2ccccc12.
What is the InChIKey of 2-(3-formyl-1H-indol-2-yl)acetic acid?
The InChIKey is DONJRFWEOQICHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c13-6-8-7-3-1-2-4-9(7)12-10(8)5-11(14)15/h1-4,6,12H,5H2,(H,14,15).
What are the key properties of 2-(3-formyl-1H-indol-2-yl)acetic acid?
2-(3-formyl-1H-indol-2-yl)acetic acid has a molecular weight of 203.20 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-formyl-1H-indol-2-yl)acetic acid is sourced from PubChem (CID 14636516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).